(2R)-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-nitrophenyl)propanamide

Systemtic Name: (2R)-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-nitrophenyl)propanamide Openeye Name: (2R)-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-nitrophenyl)propanamide CAS Name: (2R)-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(3-nitrophenyl)propanamide IUPAC Name: (2R)-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-nitrophenyl)propanamide Traditional Name: (2R)-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(3-nitrophenyl)propionamide Formula: C14H15N5O3S MolecularWeight: 333.3656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])SC2=NN=CN2C3CC3

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])SC2=NN=CN2C3CC3

InChI

InChI=1S/C14H15N5O3S/c1-9(23-14-17-15-8-18(14)11-5-6-11)13(20)16-10-3-2-4-12(7-10)19(21)22/h2-4,7-9,11H,5-6H2,1H3,(H,16,20)/t9-/m1/s1